Geometry & MOs

Info

ID:	167043
PubChem CID:	74771970
Reduced:	F3N3O4C20H24 (1)
Stoich.:	A3B3C4D20E24 (1)
Weight, g/mol:	255.145715
ΔH_f, kcal/mol:	-329.45
Dipole, Da:	1.96
IP(EA), eV:	-9.59(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-dimethyl-6-[(3-oxopiperazin-1-ium-1-yl)methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)NC(=O)N2CC(=O)NCC3=CC=C(C=C3)COCC(F)(F)F

DOS

IR

Vibrations